N-[(2-chlorophenyl)methyl]-1-[(2-methylphenyl)methyl]piperidine-3-carboxamide

C21H25ClN2O — CID 43924153

IUPACN-[(2-chlorophenyl)methyl]-1-[(2-methylphenyl)methyl]piperidine-3-carboxamide
SMILESCc1ccccc1CN1CCCC(C(=O)NCc2ccccc2Cl)C1
InChIInChI=1S/C21H25ClN2O/c1-16-7-2-3-9-18(16)14-24-12-6-10-19(15-24)21(25)23-13-17-8-4-5-11-20(17)22/h2-5,7-9,11,19H,6,10,12-15H2,1H3,(H,23,25)
InChIKeyJBPNJSXHIICOEQ-UHFFFAOYSA-N
MW356.90 g/mol
LogP4.18
Rot. Bonds5

About N-[(2-chlorophenyl)methyl]-1-[(2-methylphenyl)methyl]piperidine-3-carboxamide

N-[(2-chlorophenyl)methyl]-1-[(2-methylphenyl)methyl]piperidine-3-carboxamide (PubChem CID 43924153) has the molecular formula C21H25ClN2O and a molecular weight of 356.90 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-1-[(2-methylphenyl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-1-[(2-methylphenyl)methyl]piperidine-3-carboxamide
PubChem CID43924153
Molecular FormulaC21H25ClN2O
Molecular Weight356.90 g/mol
Exact Mass356.17
IUPAC NameN-[(2-chlorophenyl)methyl]-1-[(2-methylphenyl)methyl]piperidine-3-carboxamide
SMILESCc1ccccc1CN1CCCC(C(=O)NCc2ccccc2Cl)C1
InChIInChI=1S/C21H25ClN2O/c1-16-7-2-3-9-18(16)14-24-12-6-10-19(15-24)21(25)23-13-17-8-4-5-11-20(17)22/h2-5,7-9,11,19H,6,10,12-15H2,1H3,(H,23,25)
InChIKeyJBPNJSXHIICOEQ-UHFFFAOYSA-N
XLogP4.18
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.90
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-1-[(2-chlorophenyl)methyl]-N-[(2-ethoxyphenyl)methyl]piperidine-3-carboxamide
CID 94023565
1-[(2-chlorophenyl)methyl]-N-(2-methylpropyl)piperidine-3-carboxamide
CID 43918490
1-[(2-methylphenyl)methyl]-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]piperidine-3-carboxamide
CID 43917314
1-[(2-chlorophenyl)methyl]-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide
CID 43921898
1-[(2-chlorophenyl)methyl]-N-(2,3-dimethylphenyl)piperidine-3-carboxamide
CID 43920320
N-cyclopentyl-1-[(2-methylphenyl)methyl]piperidine-3-carboxamide
CID 43918554
(3R)-1-[(2-chlorophenyl)methyl]-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]piperidine-3-carboxamide
CID 93489973
(3S)-1-[(2-chlorophenyl)methyl]-N-[(4-propan-2-yloxyphenyl)methyl]piperidine-3-carboxamide
CID 94023964
(3R)-1-[(2-chlorophenyl)methyl]-N-[(3,4,5-trimethoxyphenyl)methyl]piperidine-3-carboxamide
CID 94023181
N-[3-(dimethylamino)propyl]-1-[(2-methylphenyl)methyl]piperidine-3-carboxamide
CID 43926238
N-(5-chloro-2-methylphenyl)-1-[(2-chlorophenyl)methyl]piperidine-3-carboxamide
CID 43921598
(3R)-1-[(2-chlorophenyl)methyl]-N-(2,4-dimethylpentan-3-yl)piperidine-3-carboxamide
CID 93491358

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-1-[(2-methylphenyl)methyl]piperidine-3-carboxamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-1-[(2-methylphenyl)methyl]piperidine-3-carboxamide (CID 43924153) is N-[(2-chlorophenyl)methyl]-1-[(2-methylphenyl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-1-[(2-methylphenyl)methyl]piperidine-3-carboxamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-1-[(2-methylphenyl)methyl]piperidine-3-carboxamide is Cc1ccccc1CN1CCCC(C(=O)NCc2ccccc2Cl)C1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-1-[(2-methylphenyl)methyl]piperidine-3-carboxamide?
The InChIKey is JBPNJSXHIICOEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN2O/c1-16-7-2-3-9-18(16)14-24-12-6-10-19(15-24)21(25)23-13-17-8-4-5-11-20(17)22/h2-5,7-9,11,19H,6,10,12-15H2,1H3,(H,23,25).
What are the key properties of N-[(2-chlorophenyl)methyl]-1-[(2-methylphenyl)methyl]piperidine-3-carboxamide?
N-[(2-chlorophenyl)methyl]-1-[(2-methylphenyl)methyl]piperidine-3-carboxamide has a molecular weight of 356.90 g/mol, XLogP of 4.18, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-1-[(2-methylphenyl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 43924153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).